≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)N2CCC=CC2=O |
|---|---|
| IUPAC Name | 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one |
| InChIKey | JJKQRSNEGCOSOC-VOTSOKGWSA-N |
| INCHI | 1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3/b7-6+ |
| Molecular Weight | 303.310 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxycinnamic acids and derivatives |
| Alternative Parents | Methoxyphenols Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers N-substituted carboxylic acid imides Hydropyridines Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxycinnamic acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. |
| External Descriptors | Not available |
| Molecular Weight | 303.310 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 303.111 Da |
| Monoisotopic Mass | 303.111 Da |
| Topological Polar Surface Area | 76.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
